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[3aS-(3a.alpha.,4.alpha.,7a.alpha.,7.alpha.)]-1-[tetrahydro-2,2-dimethyl-4-[2-[[(1,1-dimethylethyl)diphenylsilyl]oxy]ethyl]-1,3-dioxolo[4,5-c]pyran-7-yl]-3-pentyn-2-one
SpectraBase Compound ID BJlEZWk3QuY
InChI InChI=1S/C31H40O5Si/c1-7-14-24(32)21-23-22-33-27(29-28(23)35-31(5,6)36-29)19-20-34-37(30(2,3)4,25-15-10-8-11-16-25)26-17-12-9-13-18-26/h8-13,15-18,23,27-29H,19-22H2,1-6H3/t23-,27-,28+,29-/m0/s1
InChIKey GPMNCYVYBVXXDH-LQVFFPTPSA-N
Mol Weight 520.7 g/mol
Molecular Formula C31H40O5Si
Exact Mass 520.264501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wYu9aJLNCp
Name [3aS-(3a.alpha.,4.alpha.,7a.alpha.,7.alpha.)]-1-[tetrahydro-2,2-dimethyl-4-[2-[[(1,1-dimethylethyl)diphenylsilyl]oxy]ethyl]-1,3-dioxolo[4,5-c]pyran-7-yl]-3-pentyn-2-one
CAS Registry Number 107148-29-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H40O5Si
InChI InChI=1S/C31H40O5Si/c1-7-14-24(32)21-23-22-33-27(29-28(23)35-31(5,6)36-29)19-20-34-37(30(2,3)4,25-15-10-8-11-16-25)26-17-12-9-13-18-26/h8-13,15-18,23,27-29H,19-22H2,1-6H3/t23-,27-,28+,29-/m0/s1
InChIKey GPMNCYVYBVXXDH-LQVFFPTPSA-N
Molecular Weight 520.741 g/mol
SMILES [C@]12([C@](OC(O2)(C)C)([C@@](CC(C#CC)=O)(CO[C@]1(CCO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)[H])[H])[H])[H]
SPLASH splash10-0a4i-3920200000-243907532aef35b19fc1
Source of Spectrum J-53-4292-47
Synonyms 1-[(3aS,4S,7S,7aR)-4-{2-[(tert-butyldiphenylsilyl)oxy]ethyl}-2,2-dimethyl-hexahydro-[1,3]dioxolo[4,5-c]pyran-7-yl]pent-3-yn-2-one
Wiley ID 1402007